Off-centering of Ge atoms in GeBi2Te4 and impact on thermoelectric performance

The crystal structure and transport properties of GeBi2Te4 are investigated as a layered compound with potential applications as thermoelectric materials. A disordered arrangement of Ge and Bi atoms in a septuple-layer structure is discovered through synchrotron radiation X-ray diffraction and trans...

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Main Authors: Dong, Jinfeng, Hu, Lei, Liu, Jue, Liu, Yukun, Jiang, Yilin, Yu, Zhiling, Tan, Xian Yi, Suwardi, Ady, Zheng, Qiang, Li, Qian, Li, Jing-Feng, Dravid, Vinayak P., Yan, Qingyu, Kanatzidis, Mercouri G.
Other Authors: School of Materials Science and Engineering
Format: Article
Language:English
Published: 2024
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Online Access:https://hdl.handle.net/10356/176271
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Institution: Nanyang Technological University
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spelling sg-ntu-dr.10356-1762712024-05-14T07:19:39Z Off-centering of Ge atoms in GeBi2Te4 and impact on thermoelectric performance Dong, Jinfeng Hu, Lei Liu, Jue Liu, Yukun Jiang, Yilin Yu, Zhiling Tan, Xian Yi Suwardi, Ady Zheng, Qiang Li, Qian Li, Jing-Feng Dravid, Vinayak P. Yan, Qingyu Kanatzidis, Mercouri G. School of Materials Science and Engineering Institute of Materials Research and Engineering, A*STAR Engineering Low lattice thermal conductivity Nneutron pair distribution function The crystal structure and transport properties of GeBi2Te4 are investigated as a layered compound with potential applications as thermoelectric materials. A disordered arrangement of Ge and Bi atoms in a septuple-layer structure is discovered through synchrotron radiation X-ray diffraction and transmission electron microscopy. Neutron pair distribution function analysis revealed the presence of discordant Ge atoms with an off-centering distance of 0.12 Å at 300 K. The thermal conductivity of GeBi2Te4 is very low due to the strong phonon scattering. This is a result of the three Einstein local oscillators coupled with the disordered arrangement of atoms. This study also explores further the structural characteristics of these materials and their associated phonon scattering processes. The effect of Sb substitution for Ge on the electrical transport properties of the sample is profound, resulting in a change from p-type to n-type conduction. An enhanced thermoelectric figure of merit (ZT) of 0.45 at 523 K in the in-plane direction is obtained. This research provides valuable insights into the crystal structure and transport properties of GeBi2Te4, showcasing its promising role as a thermoelectric material with potential for near-room-temperature applications. Ministry of Education (MOE) This study was supported by the MOE ACRF Tier 1 RG128/21, RT6/22, the Basic Science Center Project of NSFC under Grant No. 52388201, the National Key R&D Program of China No. 2023YFB3809400, and NSFC under Grant No. 52073155 and No. 52150092. MGK acknowledges partial support from the U.S. Department of Energy, Office of Science Basic Energy Sciences under grant DE-SC0024256, DOE Office of Science. This study also used the EPIC facility of Northwestern University’s NUANCE Center, which received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS 2025633), the MRSEC program (NSF DMR-1720139)at the Materials Research Center, the International Institute for Nanotechnology (IIN), the Keck Foundation, and the State of Illinois. Research performed at the NOMAD beamlines at ORNL’s Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Sciences, U.S. Department of Energy. L.H. is supported by the JSPS fellowship for the International Research Fellows (No. P19057) and the synchrotron radiation experiments were performed at the BL02B2 beamline of SPring-8with the approval of the Japan Synchrotron Radiation 2024-05-14T07:19:39Z 2024-05-14T07:19:39Z 2024 Journal Article Dong, J., Hu, L., Liu, J., Liu, Y., Jiang, Y., Yu, Z., Tan, X. Y., Suwardi, A., Zheng, Q., Li, Q., Li, J., Dravid, V. P., Yan, Q. & Kanatzidis, M. G. (2024). Off-centering of Ge atoms in GeBi2Te4 and impact on thermoelectric performance. Advanced Functional Materials, 34(18), 2314499-. https://dx.doi.org/10.1002/adfm.202314499 1616-301X https://hdl.handle.net/10356/176271 10.1002/adfm.202314499 2-s2.0-85181670815 18 34 2314499 en RG128/21 RT6/22 Advanced Functional Materials © 2024 Wiley-VCH GmbH. All rights reserved.
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Engineering
Low lattice thermal conductivity
Nneutron pair distribution function
spellingShingle Engineering
Low lattice thermal conductivity
Nneutron pair distribution function
Dong, Jinfeng
Hu, Lei
Liu, Jue
Liu, Yukun
Jiang, Yilin
Yu, Zhiling
Tan, Xian Yi
Suwardi, Ady
Zheng, Qiang
Li, Qian
Li, Jing-Feng
Dravid, Vinayak P.
Yan, Qingyu
Kanatzidis, Mercouri G.
Off-centering of Ge atoms in GeBi2Te4 and impact on thermoelectric performance
description The crystal structure and transport properties of GeBi2Te4 are investigated as a layered compound with potential applications as thermoelectric materials. A disordered arrangement of Ge and Bi atoms in a septuple-layer structure is discovered through synchrotron radiation X-ray diffraction and transmission electron microscopy. Neutron pair distribution function analysis revealed the presence of discordant Ge atoms with an off-centering distance of 0.12 Å at 300 K. The thermal conductivity of GeBi2Te4 is very low due to the strong phonon scattering. This is a result of the three Einstein local oscillators coupled with the disordered arrangement of atoms. This study also explores further the structural characteristics of these materials and their associated phonon scattering processes. The effect of Sb substitution for Ge on the electrical transport properties of the sample is profound, resulting in a change from p-type to n-type conduction. An enhanced thermoelectric figure of merit (ZT) of 0.45 at 523 K in the in-plane direction is obtained. This research provides valuable insights into the crystal structure and transport properties of GeBi2Te4, showcasing its promising role as a thermoelectric material with potential for near-room-temperature applications.
author2 School of Materials Science and Engineering
author_facet School of Materials Science and Engineering
Dong, Jinfeng
Hu, Lei
Liu, Jue
Liu, Yukun
Jiang, Yilin
Yu, Zhiling
Tan, Xian Yi
Suwardi, Ady
Zheng, Qiang
Li, Qian
Li, Jing-Feng
Dravid, Vinayak P.
Yan, Qingyu
Kanatzidis, Mercouri G.
format Article
author Dong, Jinfeng
Hu, Lei
Liu, Jue
Liu, Yukun
Jiang, Yilin
Yu, Zhiling
Tan, Xian Yi
Suwardi, Ady
Zheng, Qiang
Li, Qian
Li, Jing-Feng
Dravid, Vinayak P.
Yan, Qingyu
Kanatzidis, Mercouri G.
author_sort Dong, Jinfeng
title Off-centering of Ge atoms in GeBi2Te4 and impact on thermoelectric performance
title_short Off-centering of Ge atoms in GeBi2Te4 and impact on thermoelectric performance
title_full Off-centering of Ge atoms in GeBi2Te4 and impact on thermoelectric performance
title_fullStr Off-centering of Ge atoms in GeBi2Te4 and impact on thermoelectric performance
title_full_unstemmed Off-centering of Ge atoms in GeBi2Te4 and impact on thermoelectric performance
title_sort off-centering of ge atoms in gebi2te4 and impact on thermoelectric performance
publishDate 2024
url https://hdl.handle.net/10356/176271
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